4-(oxan-2-ylmethoxy)cyclohex-2-en-1-amine

C12H21NO2 — CID 70892624

IUPAC4-(oxan-2-ylmethoxy)cyclohex-2-en-1-amine
SMILESNC1C=CC(OCC2CCCCO2)CC1
InChIInChI=1S/C12H21NO2/c13-10-4-6-11(7-5-10)15-9-12-3-1-2-8-14-12/h4,6,10-12H,1-3,5,7-9,13H2
InChIKeyLZSYHOMVBYNNSV-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.62
Rot. Bonds3

About 4-(oxan-2-ylmethoxy)cyclohex-2-en-1-amine

4-(oxan-2-ylmethoxy)cyclohex-2-en-1-amine (PubChem CID 70892624) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 4-(oxan-2-ylmethoxy)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name4-(oxan-2-ylmethoxy)cyclohex-2-en-1-amine
PubChem CID70892624
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name4-(oxan-2-ylmethoxy)cyclohex-2-en-1-amine
SMILESNC1C=CC(OCC2CCCCO2)CC1
InChIInChI=1S/C12H21NO2/c13-10-4-6-11(7-5-10)15-9-12-3-1-2-8-14-12/h4,6,10-12H,1-3,5,7-9,13H2
InChIKeyLZSYHOMVBYNNSV-UHFFFAOYSA-N
XLogP1.62
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-2-ylmethoxy)cyclohex-2-en-1-amine?
The IUPAC name of 4-(oxan-2-ylmethoxy)cyclohex-2-en-1-amine (CID 70892624) is 4-(oxan-2-ylmethoxy)cyclohex-2-en-1-amine.
What is the SMILES notation for 4-(oxan-2-ylmethoxy)cyclohex-2-en-1-amine?
The canonical SMILES for 4-(oxan-2-ylmethoxy)cyclohex-2-en-1-amine is NC1C=CC(OCC2CCCCO2)CC1.
What is the InChIKey of 4-(oxan-2-ylmethoxy)cyclohex-2-en-1-amine?
The InChIKey is LZSYHOMVBYNNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c13-10-4-6-11(7-5-10)15-9-12-3-1-2-8-14-12/h4,6,10-12H,1-3,5,7-9,13H2.
What are the key properties of 4-(oxan-2-ylmethoxy)cyclohex-2-en-1-amine?
4-(oxan-2-ylmethoxy)cyclohex-2-en-1-amine has a molecular weight of 211.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-2-ylmethoxy)cyclohex-2-en-1-amine is sourced from PubChem (CID 70892624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).